[1,3-bis(oxidanylidene)isoindol-2-yl] octane-1-sulfonate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl] octane-1-sulfonate Openeye Name: (1,3-dioxoisoindolin-2-yl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (1,3-dioxoisoindol-2-yl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid phthalimido ester Formula: C16H21NO5S MolecularWeight: 339.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)ON1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCS(=O)(=O)ON1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H21NO5S/c1-2-3-4-5-6-9-12-23(20,21)22-17-15(18)13-10-7-8-11-14(13)16(17)19/h7-8,10-11H,2-6,9,12H2,1H3